Vitas-M small molecule compound

N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3,5-dimethoxybenzamide

Catalog ID
STK457910
SMILES COc1cc(OC)cc(c1)C(=O)Nc1sc2c(c1C#N)CCCCCC2

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C20H22N2O3S MW 370.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O3S/c1-24-14-9-13(10-15(11-14)25-2)19(23)22-20-17(12-21)16-7-5-3-4-6-8-18(16)26-20/h9-11H,3-8H2,1-2H3,(H,22,23)
InChIKey
YYSLXTMEOHEJRN-UHFFFAOYSA-N
Synonyms

COC1=CC(=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCCCC3)C#N)OC
InChI=1SC20H22N2O3Sc12414913(1015(1114)252)19(23)222017(1221)1675346818(16)2620h911H38H212H3(H2223)
MFCD03381055
N(3cyano456789hexahydrocycloocta(b)thiophen2yl)35dimethoxybenzamide
ZINC000006126770
ZINC06126770
ZINC6126770

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.